Fundamentals of drug design from a biophysical viewpoint

Author:

Van Gunsteren Wilfred F.,King Paul M.,Mark Alan E.

Abstract

Drug design means many things to many people. Commercially the aim is the development of compounds that can be patented and meet a variety of regulatory standards. In drug design, for medical purposes, toxicity and bio-availability are major considerations.

Publisher

Cambridge University Press (CUP)

Subject

Biophysics

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1. Biomolecular recognition of antagonists by α7 nicotinic acetylcholine receptor: Antagonistic mechanism and structure–activity relationships studies;European Journal of Pharmaceutical Sciences;2015-08

2. Molecular docking study and development of an empirical binding free energy model for phosphodiesterase 4 inhibitors;Bioorganic & Medicinal Chemistry;2006-09

3. Classical and quantum conformational analysis using Generalized Genetic Algorithm;Physica A: Statistical Mechanics and its Applications;2006-05

4. Drug-Target Binding Investigated by Quantum Mechanical/Molecular Mechanical (QM/MM) Methods;Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 2;2006

5. Free Energy Perturbation Calculations;Encyclopedia of Computational Chemistry;2002-04-15

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